1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol

C27H26F4N2O2 — CID 46014272

IUPAC1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C27H26F4N2O2/c28-23-11-9-21(10-12-23)26-15-25(35-32-26)18-33(17-24(34)14-19-5-2-1-3-6-19)16-20-7-4-8-22(13-20)27(29,30)31/h1-13,24-25,34H,14-18H2
InChIKeyUUOJKVCPWKCZQM-UHFFFAOYSA-N
MW486.51 g/mol
LogP5.44
Rot. Bonds9

About 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol

1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 46014272) has the molecular formula C27H26F4N2O2 and a molecular weight of 486.51 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol
PubChem CID46014272
Molecular FormulaC27H26F4N2O2
Molecular Weight486.51 g/mol
Exact Mass486.19
IUPAC Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C27H26F4N2O2/c28-23-11-9-21(10-12-23)26-15-25(35-32-26)18-33(17-24(34)14-19-5-2-1-3-6-19)16-20-7-4-8-22(13-20)27(29,30)31/h1-13,24-25,34H,14-18H2
InChIKeyUUOJKVCPWKCZQM-UHFFFAOYSA-N
XLogP5.44
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-Fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134789172
8-[(4-Fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134792809
9-[(4-Fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134793990
9-Benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134795515
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
CID 24714244
2-[(3-Fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 42838580
1-[(3-Fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014160
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46014260
1-(Benzyl{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-phenyl-2-propanol
CID 46014289
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46014348
1-((3-Fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isobutoxy-2-propanol
CID 46014349
1-[(2-Chlorophenyl)methyl-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014353

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol (CID 46014272) is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is UUOJKVCPWKCZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N2O2/c28-23-11-9-21(10-12-23)26-15-25(35-32-26)18-33(17-24(34)14-19-5-2-1-3-6-19)16-20-7-4-8-22(13-20)27(29,30)31/h1-13,24-25,34H,14-18H2.
What are the key properties of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol?
1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 486.51 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46014272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).